Crystallography Open Database

Information card for entry 4500168

Preview

Coordinates	4500168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H66 Cl2 Co N14 O12
Calculated formula	C54 H66 Cl2 Co N14 O11.9998
Title of publication	Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand
Authors of publication	Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	231
a	16.0155 ± 0.001 Å
b	16.0155 ± 0.001 Å
c	26.675 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	5925.4 ± 0.8 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179532 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/01.	4500168.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500168.cif
34382	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500167, 4500168, 4500169, 4500170 via cif-deposit CGI script.	4500168.cif